SCHEMBL7792121

SCHEMBL7792121

O=C(SCCCCCSC(=O)c1nc2ccccc2n1C(=O)Cc1ccccc1)c1nc2ccccc2n1C(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ASAH1 Q13510 4/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
GSK3B P49841 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7792344 0.85 PTGDR2 (0.43) KMT2ASMN1; SMN2KDM4EASAH1PTGDR2
SCHEMBL7792081 0.85 PTGDR2 (0.43) KMT2ASMN1; SMN2KDM4EASAH1PTGDR2
SCHEMBL7796343 0.85 PTGDR2 (0.43) KMT2ASMN1; SMN2KDM4EASAH1PTGDR2
SCHEMBL7796129 0.84 CYP1A2 (0.43) KMT2ASMN1; SMN2KDM4EPOLBASAH1
SCHEMBL7794772 0.82 CYP1A2 (0.45) NPC1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL8402493 0.81 ALDH1A1 (0.56) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL7794693 0.81 PTGDR2 (0.47) SMN1; SMN2ASAH1PTGDR2NPSR1
SCHEMBL7792012 0.80 L3MBTL1 (0.54) MEN1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL7795675 0.78 GAA (0.54) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL7796432 0.77 HDAC6 (0.46) NPC1LMNARAB9ASMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed